5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C11H8BrN3OS2 — CID 134794015

IUPAC5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1cccs1)c1nc2sccn2c1Br
InChIInChI=1S/C11H8BrN3OS2/c12-9-8(14-11-15(9)3-5-18-11)10(16)13-6-7-2-1-4-17-7/h1-5H,6H2,(H,13,16)
InChIKeyYJVGEWTVQNKGNH-UHFFFAOYSA-N
MW342.24 g/mol
LogP3.15
Rot. Bonds3

About 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134794015) has the molecular formula C11H8BrN3OS2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134794015
Molecular FormulaC11H8BrN3OS2
Molecular Weight342.24 g/mol
Exact Mass340.93
IUPAC Name5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NCc1cccs1)c1nc2sccn2c1Br
InChIInChI=1S/C11H8BrN3OS2/c12-9-8(14-11-15(9)3-5-18-11)10(16)13-6-7-2-1-4-17-7/h1-5H,6H2,(H,13,16)
InChIKeyYJVGEWTVQNKGNH-UHFFFAOYSA-N
XLogP3.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471977
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
(E)-3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 32983057
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-bromo-5-hydroxy-N-(thiophen-2-ylmethyl)benzamide
CID 20776955
2,5-dimethyl-N-(thiophen-2-ylmethyl)-1H-imidazole-4-carboxamide
CID 126820136
5-methyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 53195229
3,7-dibromo-5-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 25189545
N-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-thiophen-2-ylmethanamine
CID 43433381

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134794015) is 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NCc1cccs1)c1nc2sccn2c1Br.
What is the InChIKey of 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is YJVGEWTVQNKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3OS2/c12-9-8(14-11-15(9)3-5-18-11)10(16)13-6-7-2-1-4-17-7/h1-5H,6H2,(H,13,16).
What are the key properties of 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(thiophen-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134794015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).